COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK789695
Chemical Name: tetramethyl6'-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-8'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Smiles: CCOc1ccc2c(c1)N(C(=O)CSc1nc3c(s1)cccc3)C(C1=C2C2(SC(=C(S2)C(=O)OC)C(=O)OC)C(=C(S1)C(=O)OC)C(=O)OC)(C)C

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Molecular Weight: 800.98
Empirical Formula: C35H32N2O10S5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 13.005
Rotatable bonds: 13
H-donors: 0
H-acceptors: 10
PSA: 277
Number of rings: 6

     

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